Aqabamycin G
| Internal ID | 52dab696-985c-4de3-9c48-a4455a16afe3 |
| Taxonomy | Benzenoids > Phenols > Nitrophenols |
| IUPAC Name | 3-(4-hydroxy-3-nitrophenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione |
| SMILES (Canonical) | C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CC(=C(C=C4)O)[N+](=O)[O-] |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CC(=C(C=C4)O)[N+](=O)[O-] |
| InChI | InChI=1S/C18H11N3O5/c22-14-6-5-9(7-13(14)21(25)26)15-16(18(24)20-17(15)23)11-8-19-12-4-2-1-3-10(11)12/h1-8,19,22H,(H,20,23,24) |
| InChI Key | LSXYUYXMNIJERR-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C18H11N3O5 |
| Molecular Weight | 349.30 g/mol |
| Exact Mass | 349.06987046 g/mol |
| Topological Polar Surface Area (TPSA) | 128.00 Ų |
| XlogP | 2.70 |
| 1252019-82-1 |
| 3-(4-hydroxy-3-nitrophenyl)-4-(1H-indol-3-yl)pyrrole-2,5-dione |
| CHEMBL4278551 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.23% | 91.49% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 98.04% | 95.72% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.73% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.32% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 95.07% | 92.88% |
| CHEMBL2850 | P49840 | Glycogen synthase kinase-3 alpha | 94.96% | 88.84% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.85% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 93.34% | 80.96% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 90.82% | 83.10% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.75% | 94.62% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 90.22% | 91.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.96% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.78% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.35% | 93.03% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.86% | 93.40% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.58% | 99.15% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 86.40% | 93.81% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 85.92% | 81.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.22% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.94% | 99.23% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.90% | 92.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.60% | 94.45% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.33% | 91.71% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 83.87% | 97.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.42% | 94.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.82% | 95.56% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.10% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.67% | 90.17% |
| CHEMBL240 | Q12809 | HERG | 80.64% | 89.76% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.58% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 46846124 |
| LOTUS | LTS0092964 |
| wikiData | Q77569940 |